Compound Detail
CHEMBL4540126
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CC(C)Cc1ccc(C(C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(C)C)B(O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL4540126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WODAAEKDWGODOO-MPEZEPLXSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
505.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.58
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent Clp protease proteolytic subunit CHEMBL1932910 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| ATP-dependent Clp protease proteolytic subunit CHEMBL1932910 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent Clp protease proteolytic subunit | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP... | 32031798 |
| ATP-dependent Clp protease proteolytic subunit | EC50 | = | 2600.0 | nM | 5.58 | Inhibition of ClpP in methicillin-resistant Staphylococcus aureus ATCC 33591 ass... | 32031798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32031798 | 10.1021/acs.jmedchem.9b01746 | ATP-dependent Clp protease proteolytic subunit | 6 |
| 32031798 | 10.1021/acs.jmedchem.9b01746 | Unchecked | 1 |
| 32031798 | 10.1021/acs.jmedchem.9b01746 | HeLa | 1 |
| 32031798 | 10.1021/acs.jmedchem.9b01746 | HepG2 | 1 |
| 32031798 | 10.1021/acs.jmedchem.9b01746 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine